#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bye h GLU 2 N 0.00 0.63 0.00 1.61 -0.00 -2.07 -3.46 114.58 111.29 2bye h GLU 2 Ca 0.00 -0.45 0.00 0.00 -0.00 0.00 0.00 59.36 58.91 2bye h GLU 2 Cb 0.00 0.07 0.00 0.00 -0.00 0.00 0.00 28.75 28.82 2bye h GLU 2 CO 0.00 1.07 0.00 -1.91 -0.00 0.00 0.00 179.01 178.17 2bye n GLU 3 N -4.19 0.00 0.00 1.06 4.07 -1.26 -5.05 120.64 115.28 2bye n GLU 3 Ca -0.07 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.03 2bye n GLU 3 Cb 0.59 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.97 2bye n GLU 3 CO 0.00 0.00 0.00 -2.13 -0.06 0.00 0.00 177.13 174.94 2bye n ARG 4 N -3.08 0.00 -3.09 5.31 0.00 -1.26 -5.04 116.66 109.51 2bye n ARG 4 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.85 57.87 2bye n ARG 4 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 32.46 32.46 2bye n ARG 4 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.63 176.04 2bye s LYS 5 N 0.00 0.58 0.44 -0.14 -2.85 -1.26 -4.80 119.74 111.71 2bye s LYS 5 Ca 0.00 -0.08 0.13 0.00 -1.00 0.00 0.00 55.97 55.02 2bye s LYS 5 Cb 0.00 0.10 1.04 0.00 -2.06 0.00 0.00 37.83 36.90 2bye s LYS 5 CO 0.00 -0.87 2.01 0.00 0.10 0.00 0.00 175.35 176.59 2bye s LEU 7 N -9.31 3.26 -1.38 0.00 2.96 -1.26 -4.88 118.68 108.06 2bye s LEU 7 Ca -0.07 -0.29 -0.15 0.00 -0.22 0.00 0.00 54.13 53.40 2bye s LEU 7 Cb 0.19 -2.55 0.01 0.00 0.50 0.00 0.00 46.19 44.34 2bye s LEU 7 CO 0.74 -2.26 2.24 1.67 -1.32 0.00 0.00 176.35 177.42 2bye n GLN 8 N 9.11 2.73 -3.89 1.98 7.27 -1.25 -4.89 117.38 128.44 2bye n GLN 8 Ca 0.23 -2.46 -0.35 0.00 0.07 0.00 0.00 57.00 54.48 2bye n GLN 8 Cb 0.50 -3.20 -0.11 0.00 2.41 0.00 0.00 30.24 29.84 2bye n GLN 8 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 2bye s THR 9 N 3.36 4.68 -0.01 1.69 -4.23 -1.26 -0.88 115.64 118.99 2bye s THR 9 Ca 0.50 -0.06 0.04 0.00 -1.18 0.00 0.00 61.69 60.99 2bye s THR 9 Cb 0.14 -3.15 -0.01 0.00 1.34 0.00 0.00 72.50 70.83 2bye s THR 9 CO -0.06 0.40 -0.13 -1.00 -0.54 0.00 0.00 174.62 173.28 2bye s HIS 10 N 0.92 1.19 -0.01 3.99 3.76 -1.15 -4.88 115.29 119.11 2bye s HIS 10 Ca 0.04 -0.23 -0.06 0.00 -0.15 0.00 0.00 55.06 54.66 2bye s HIS 10 Cb -0.14 -0.76 -0.04 0.00 1.11 0.00 0.00 32.58 32.75 2bye s HIS 10 CO 0.03 -0.02 0.23 0.50 -0.85 0.00 0.00 174.74 174.64 2bye s ARG 11 N -0.38 3.54 -0.14 1.40 3.52 -1.26 0.10 118.95 125.72 2bye s ARG 11 Ca 0.05 -0.13 -0.00 0.00 -0.13 0.00 0.00 55.73 55.52 2bye s ARG 11 Cb -0.05 -3.10 0.03 0.00 -1.56 0.00 0.00 34.95 30.27 2bye s ARG 11 CO -0.00 0.67 -0.09 0.54 -0.81 0.00 0.00 175.30 175.61 2bye s VAL 12 N -1.27 1.24 -0.14 7.11 0.11 -0.66 -4.94 120.40 121.85 2bye s VAL 12 Ca 0.26 -0.51 -0.29 0.00 -2.93 0.00 0.00 61.98 58.51 2bye s VAL 12 Cb -0.13 -1.27 -0.02 0.00 -1.53 0.00 0.00 36.38 33.44 2bye s VAL 12 CO 0.15 0.33 1.24 -0.89 -3.33 0.00 0.00 175.10 172.61 2bye s THR 13 N 1.61 4.29 -0.13 5.04 2.01 -1.26 -2.38 115.64 124.81 2bye s THR 13 Ca 0.04 1.57 -0.01 0.00 0.31 0.00 0.00 61.69 63.59 2bye s THR 13 Cb -0.13 -4.01 -0.02 0.00 0.01 0.00 0.00 72.50 68.34 2bye s THR 13 CO -0.09 -0.11 -0.08 -0.69 -0.69 0.00 0.00 174.62 172.96 2bye s VAL 14 N 3.23 3.55 -0.20 3.82 1.01 0.78 -4.51 120.40 128.08 2bye s VAL 14 Ca 0.55 -0.49 0.22 0.00 0.00 0.00 0.00 61.98 62.25 2bye s VAL 14 Cb -0.22 -2.51 -0.28 0.00 0.00 0.00 0.00 36.38 33.37 2bye s VAL 14 CO 0.16 0.53 0.62 1.41 0.00 0.00 0.00 175.10 177.82 2bye n HIS 15 N 3.22 0.11 -1.25 5.22 8.25 0.68 -0.60 115.22 130.86 2bye n HIS 15 Ca -0.18 0.03 -0.15 0.00 -0.26 0.00 0.00 57.72 57.17 2bye n HIS 15 Cb 0.53 -0.48 0.21 0.00 1.12 0.00 0.00 29.99 31.37 2bye n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2bye n GLY 16 N 1.29 4.44 3.72 -1.41 0.00 -1.23 -4.59 105.19 107.41 2bye n GLY 16 Ca -0.02 -1.11 -0.34 0.00 0.00 0.00 0.00 46.02 44.55 2bye n GLY 16 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2bye s VAL 17 N -3.22 2.41 -0.07 1.61 -7.23 -1.26 -4.13 120.40 108.51 2bye s VAL 17 Ca 0.53 0.19 0.24 0.00 -1.81 0.00 0.00 61.98 61.13 2bye s VAL 17 Cb 0.45 -2.72 0.25 0.00 0.56 0.00 0.00 36.38 34.92 2bye s VAL 17 CO 0.09 -0.12 1.72 1.55 -0.31 0.00 0.00 175.10 178.03 2bye h PRO 18 N -0.39 0.00 -7.09 4.82 0.13 -1.92 -3.46 132.00 124.09 2bye h PRO 18 Ca -0.47 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.17 2bye h PRO 18 Cb 1.29 0.00 0.21 0.00 0.13 0.00 0.00 31.00 32.63 2bye h PRO 18 CO 0.50 0.19 -0.11 0.41 -0.23 0.00 0.00 178.00 178.76 2bye n GLY 19 N 0.58 -1.40 0.17 1.56 0.00 -1.26 -4.92 105.19 99.92 2bye n GLY 19 Ca 0.02 -0.89 0.03 0.00 0.00 0.00 0.00 46.02 45.17 2bye n GLY 19 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bye h PRO 20 N -2.16 0.00 -7.16 1.61 0.13 -2.03 -3.45 132.00 118.95 2bye h PRO 20 Ca -0.51 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.08 2bye h PRO 20 Cb 1.30 0.00 0.16 0.00 0.13 0.00 0.00 31.00 32.60 2bye h PRO 20 CO 0.43 0.45 0.43 -1.21 -0.23 0.00 0.00 178.00 177.87 2bye s GLU 21 N -3.74 2.17 0.06 0.86 2.02 -1.26 -4.94 118.70 113.87 2bye s GLU 21 Ca -0.01 1.88 -0.05 0.00 0.02 0.00 0.00 54.97 56.81 2bye s GLU 21 Cb 0.12 -1.82 -0.29 0.00 0.10 0.00 0.00 34.13 32.24 2bye s GLU 21 CO 0.72 -1.84 1.10 -1.00 0.02 0.00 0.00 175.26 174.25 2bye h PRO 22 N -0.12 0.28 -2.69 0.39 0.14 -1.90 -3.45 132.00 124.66 2bye h PRO 22 Ca -0.49 -0.48 -0.13 0.00 0.14 0.00 0.00 66.00 65.04 2bye h PRO 22 Cb 1.31 0.18 -0.27 0.00 0.14 0.00 0.00 31.00 32.36 2bye h PRO 22 CO 0.50 1.22 -0.33 -0.59 0.14 0.00 0.00 178.00 178.94 2bye s PHE 23 N -2.65 -0.57 0.00 1.56 -0.71 -1.26 -4.44 117.98 109.91 2bye s PHE 23 Ca -0.05 1.23 -0.07 0.00 -1.04 0.00 0.00 56.93 57.00 2bye s PHE 23 Cb 0.07 0.24 0.00 0.00 -1.21 0.00 0.00 43.02 42.12 2bye s PHE 23 CO 0.88 -0.33 0.13 -0.08 -1.34 0.00 0.00 175.22 174.48 2bye s THR 24 N 1.44 0.08 -0.15 -4.49 -1.32 0.24 -4.92 115.64 106.52 2bye s THR 24 Ca -0.09 -0.68 -0.02 0.00 -1.21 0.00 0.00 61.69 59.69 2bye s THR 24 Cb -0.09 -0.41 -0.02 0.00 -1.51 0.00 0.00 72.50 70.47 2bye s THR 24 CO -0.12 -0.37 -0.08 -0.69 -2.21 0.00 0.00 174.62 171.15 2bye s VAL 25 N -1.33 3.51 0.08 5.08 1.01 -1.26 -0.16 120.40 127.34 2bye s VAL 25 Ca -0.14 -0.49 0.07 0.00 0.00 0.00 0.00 61.98 61.42 2bye s VAL 25 Cb -0.07 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.75 2bye s VAL 25 CO 0.01 0.50 -0.14 -0.36 0.00 0.00 0.00 175.10 175.12 2bye s PHE 26 N 0.41 2.65 0.10 5.22 0.40 -1.00 -4.86 117.98 120.90 2bye s PHE 26 Ca -0.07 -0.20 -0.20 0.00 -0.60 0.00 0.00 56.93 55.86 2bye s PHE 26 Cb -0.15 -1.43 -0.07 0.00 0.51 0.00 0.00 43.02 41.88 2bye s PHE 26 CO 0.04 0.37 0.62 0.99 0.70 0.00 0.00 175.22 177.93 2bye s THR 27 N -1.11 4.66 0.50 0.64 2.01 -1.26 -1.65 115.64 119.43 2bye s THR 27 Ca 0.18 1.30 0.05 0.00 0.31 0.00 0.00 61.69 63.53 2bye s THR 27 Cb -0.11 -3.94 0.05 0.00 0.01 0.00 0.00 72.50 68.52 2bye s THR 27 CO 0.10 0.52 0.42 2.30 -0.69 0.00 0.00 174.62 177.27 2bye n ILE 28 N 1.61 0.00 -3.64 1.82 -5.35 0.11 -4.93 119.36 108.99 2bye n ILE 28 Ca -0.09 -1.95 -0.11 0.00 -0.27 0.00 0.00 62.75 60.34 2bye n ILE 28 Cb 0.50 -0.14 -0.07 0.00 -1.74 0.00 0.00 39.64 38.20 2bye n ILE 28 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 2bye s ASN 29 N -3.97 -0.61 -0.75 7.28 3.84 -1.24 -2.93 114.94 116.54 2bye s ASN 29 Ca 0.32 1.15 0.00 0.00 0.21 0.00 0.00 52.86 54.54 2bye s ASN 29 Cb -0.03 1.18 0.00 0.00 -0.55 0.00 0.00 41.25 41.86 2bye s ASN 29 CO 0.20 -0.20 0.00 0.61 -2.79 0.00 0.00 177.10 174.93 2bye n GLY 30 N 2.64 0.89 0.00 1.21 0.00 -0.06 -3.48 105.19 106.38 2bye n GLY 30 Ca -0.14 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.49 2bye n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bye n GLY 31 N -1.52 2.77 2.02 -0.02 0.00 -1.25 -4.96 105.19 102.23 2bye n GLY 31 Ca -0.07 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.26 2bye n GLY 31 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2bye n THR 32 N 0.00 -6.21 -1.52 2.61 -2.24 -1.23 -4.72 114.28 100.97 2bye n THR 32 Ca 0.00 1.51 -0.29 0.00 -2.27 0.00 0.00 64.05 63.00 2bye n THR 32 Cb 0.00 -3.30 0.18 0.00 -2.10 0.00 0.00 70.33 65.11 2bye n THR 32 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2bye s LYS 33 N -0.26 0.36 0.58 -0.78 -2.85 -1.26 -4.50 119.74 111.04 2bye s LYS 33 Ca 0.00 0.01 0.35 0.00 -1.00 0.00 0.00 55.97 55.33 2bye s LYS 33 Cb 0.00 -1.77 1.79 0.00 -2.06 0.00 0.00 37.83 35.79 2bye s LYS 33 CO 0.00 -2.67 2.16 0.00 0.10 0.00 0.00 175.35 174.94 2bye h ALA 34 N -1.83 1.12 0.00 0.59 0.00 -1.77 -1.08 119.26 116.28 2bye h ALA 34 Ca -0.47 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.37 2bye h ALA 34 Cb 1.30 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 2bye h ALA 34 CO 0.48 0.05 -0.18 1.57 0.00 0.00 0.00 179.25 181.17 2bye h LYS 35 N 0.00 0.00 0.00 0.00 2.10 -1.87 0.20 116.57 117.00 2bye h LYS 35 Ca -0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 2bye h LYS 35 Cb 0.25 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.58 2bye h LYS 35 CO 0.01 0.89 -0.03 0.37 -2.00 0.00 0.00 179.45 178.68 2bye h GLN 36 N -1.00 0.00 0.07 0.07 4.15 -1.91 -2.01 115.11 114.49 2bye h GLN 36 Ca -0.05 0.00 -0.28 0.00 0.77 0.00 0.00 58.65 59.09 2bye h GLN 36 Cb 0.94 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.61 2bye h GLN 36 CO -0.03 0.03 -1.41 1.25 -1.93 0.00 0.00 178.83 176.74 2bye h LEU 37 N 0.00 0.24 -1.10 -2.39 7.12 -1.13 -2.65 115.31 115.40 2bye h LEU 37 Ca -0.00 -0.32 0.15 0.00 0.13 0.00 0.00 57.88 57.84 2bye h LEU 37 Cb 0.17 -0.08 -0.09 0.00 -0.53 0.00 0.00 40.66 40.13 2bye h LEU 37 CO 0.00 1.27 0.61 0.25 -0.13 0.00 0.00 178.44 180.45 2bye h LEU 38 N 0.04 0.80 0.08 2.25 7.12 0.15 0.14 115.31 125.89 2bye h LEU 38 Ca -0.19 0.06 0.02 0.00 0.13 0.00 0.00 57.88 57.91 2bye h LEU 38 Cb 1.95 -0.10 -0.05 0.00 -0.53 0.00 0.00 40.66 41.94 2bye h LEU 38 CO 0.14 0.38 -0.36 -0.61 -0.13 0.00 0.00 178.44 177.87 2bye h GLN 39 N 0.83 -0.54 -0.49 1.25 4.15 -1.46 0.25 115.11 119.11 2bye h GLN 39 Ca 0.51 0.04 0.14 0.00 0.77 0.00 0.00 58.65 60.11 2bye h GLN 39 Cb 0.69 0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.49 2bye h GLN 39 CO -0.28 -0.36 0.38 1.96 -1.93 0.00 0.00 178.83 178.60 2bye h GLN 40 N -0.56 0.00 0.18 1.69 1.08 -0.43 0.45 115.11 117.51 2bye h GLN 40 Ca 0.04 0.00 -0.33 0.00 -1.45 0.00 0.00 58.65 56.91 2bye h GLN 40 Cb 0.61 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.05 2bye h GLN 40 CO -0.23 0.00 -1.58 0.82 -0.95 0.00 0.00 178.83 176.88 2bye h ILE 41 N 0.00 1.13 0.00 2.54 5.03 -0.40 -3.13 117.51 122.68 2bye h ILE 41 Ca 0.23 -2.69 -0.01 0.00 -0.12 0.00 0.00 64.86 62.28 2bye h ILE 41 Cb 1.00 2.85 -0.00 0.00 -3.03 0.00 0.00 36.82 37.63 2bye h ILE 41 CO -0.00 0.84 -0.03 -0.07 -0.68 0.00 0.00 178.15 178.21 2bye h LEU 42 N 0.10 0.00 -6.42 1.44 3.38 0.18 -3.38 115.31 110.62 2bye h LEU 42 Ca -0.28 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.03 2bye h LEU 42 Cb 2.08 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.85 2bye h LEU 42 CO 0.20 0.03 2.50 0.41 0.09 0.00 0.00 178.44 181.67 2bye n THR 43 N -3.27 2.35 0.00 0.22 -1.04 0.13 -4.58 114.28 108.10 2bye n THR 43 Ca -0.02 -2.07 0.00 0.00 -2.04 0.00 0.00 64.05 59.92 2bye n THR 43 Cb 0.17 -2.40 0.00 0.00 -1.82 0.00 0.00 70.33 66.28 2bye n THR 43 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2bye n ASN 44 N 7.33 0.00 -4.72 8.00 5.03 -1.26 -4.90 115.26 124.75 2bye n ASN 44 Ca 0.50 0.23 -0.41 0.00 0.87 0.00 0.00 54.58 55.77 2bye n ASN 44 Cb 0.40 -0.24 -0.04 0.00 -1.02 0.00 0.00 39.78 38.89 2bye n ASN 44 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 2bye s GLU 45 N -0.48 4.54 2.06 3.52 2.02 -1.26 -4.93 118.70 124.18 2bye s GLU 45 Ca 0.00 1.24 0.00 0.00 0.02 0.00 0.00 54.97 56.23 2bye s GLU 45 Cb 0.00 -3.43 0.00 0.00 0.10 0.00 0.00 34.13 30.80 2bye s GLU 45 CO 0.00 0.08 0.00 1.04 0.02 0.00 0.00 175.26 176.40 2bye n GLN 46 N 3.50 0.00 -0.05 1.61 3.00 -1.26 -2.06 117.38 122.12 2bye n GLN 46 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 2bye n GLN 46 Cb 0.51 0.00 0.02 0.00 0.00 0.00 0.00 30.24 30.77 2bye n GLN 46 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 2bye n ASP 47 N -3.29 1.13 -4.58 1.08 2.03 -1.26 -4.94 116.55 106.72 2bye n ASP 47 Ca 0.00 -2.05 -0.45 0.00 0.52 0.00 0.00 54.79 52.81 2bye n ASP 47 Cb 0.00 -0.45 -0.02 0.00 -0.72 0.00 0.00 41.12 39.93 2bye n ASP 47 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 2bye n ILE 48 N -0.02 1.78 -3.86 5.18 5.41 -0.88 -4.96 119.36 122.02 2bye n ILE 48 Ca 0.02 -0.44 -0.29 0.00 1.00 0.00 0.00 62.75 63.03 2bye n ILE 48 Cb 0.27 -0.96 -0.13 0.00 -0.71 0.00 0.00 39.64 38.11 2bye n ILE 48 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 2bye s LYS 49 N -1.30 1.99 0.98 0.38 1.02 -1.26 -4.60 119.74 116.96 2bye s LYS 49 Ca 0.61 -2.78 -0.24 0.00 0.02 0.00 0.00 55.97 53.58 2bye s LYS 49 Cb -0.73 -3.08 -0.13 0.00 -0.52 0.00 0.00 37.83 33.37 2bye s LYS 49 CO 0.58 -1.21 -1.16 -2.30 -0.92 0.00 0.00 175.35 170.35 2bye n PRO 50 N 2.70 -0.32 -3.11 -1.68 -0.02 -1.26 -4.93 135.00 126.39 2bye n PRO 50 Ca 0.13 -0.09 -0.45 0.00 -2.02 0.00 0.00 63.50 61.07 2bye n PRO 50 Cb 0.35 -1.12 -0.03 0.00 -0.02 0.00 0.00 33.50 32.67 2bye n PRO 50 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2bye s VAL 51 N -2.04 4.97 -0.65 -1.45 1.01 -1.26 -5.00 120.40 115.98 2bye s VAL 51 Ca 0.36 -1.46 -0.27 0.00 0.00 0.00 0.00 61.98 60.61 2bye s VAL 51 Cb 0.06 -4.56 0.02 0.00 0.00 0.00 0.00 36.38 31.90 2bye s VAL 51 CO 0.60 -1.21 1.41 0.42 0.00 0.00 0.00 175.10 176.32 2bye s THR 52 N 2.15 3.71 0.00 3.92 -4.23 -1.26 -4.92 115.64 115.00 2bye s THR 52 Ca 0.18 0.50 0.00 0.00 -1.18 0.00 0.00 61.69 61.20 2bye s THR 52 Cb -0.16 -4.60 0.00 0.00 1.34 0.00 0.00 72.50 69.08 2bye s THR 52 CO -0.01 -1.45 0.00 1.07 -0.54 0.00 0.00 174.62 173.69 2bye n THR 53 N 6.69 0.00 0.00 3.99 5.66 -1.26 -4.88 114.28 124.47 2bye n THR 53 Ca 0.09 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.09 2bye n THR 53 Cb 0.50 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.28 2bye n THR 53 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 2bye n ASP 54 N 0.00 0.00 -4.77 1.09 8.00 -1.26 -4.75 116.55 114.86 2bye n ASP 54 Ca 0.00 0.11 -0.38 0.00 0.71 0.00 0.00 54.79 55.23 2bye n ASP 54 Cb 0.00 -0.11 -0.04 0.00 -0.02 0.00 0.00 41.12 40.96 2bye n ASP 54 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2bye s TYR 55 N -1.92 3.29 0.29 1.24 2.02 -1.26 -0.16 117.35 120.85 2bye s TYR 55 Ca 0.00 1.63 -0.17 0.00 -0.37 0.00 0.00 57.07 58.16 2bye s TYR 55 Cb 0.00 -3.24 0.02 0.00 -0.40 0.00 0.00 41.96 38.34 2bye s TYR 55 CO 0.00 -0.80 0.66 -0.59 -1.57 0.00 0.00 175.55 173.25 2bye s PHE 56 N -1.46 0.07 0.36 2.71 -0.71 -0.55 -4.93 117.98 113.48 2bye s PHE 56 Ca 0.54 -0.53 0.07 0.00 -1.04 0.00 0.00 56.93 55.97 2bye s PHE 56 Cb -0.27 0.56 -0.01 0.00 -1.21 0.00 0.00 43.02 42.09 2bye s PHE 56 CO 0.34 -1.23 0.45 -0.51 -1.34 0.00 0.00 175.22 172.94 2bye s LEU 57 N -2.99 3.78 -0.00 -1.99 1.02 -1.26 0.28 118.68 117.51 2bye s LEU 57 Ca 0.16 -0.35 -0.19 0.00 0.02 0.00 0.00 54.13 53.77 2bye s LEU 57 Cb -0.04 -2.57 0.04 0.00 0.02 0.00 0.00 46.19 43.63 2bye s LEU 57 CO 0.09 -0.52 0.41 -0.04 0.02 0.00 0.00 176.35 176.32 2bye s MET 58 N -4.18 0.82 -0.17 1.70 -1.94 -0.74 0.32 119.30 115.11 2bye s MET 58 Ca 0.47 -0.16 -0.00 0.00 -1.71 0.00 0.00 55.69 54.29 2bye s MET 58 Cb -0.08 0.37 0.04 0.00 2.01 0.00 0.00 34.83 37.17 2bye s MET 58 CO 0.30 -0.25 -0.05 -1.83 -0.01 0.00 0.00 175.02 173.18 2bye s GLU 59 N -1.65 1.43 -0.50 2.03 -1.05 0.18 -0.25 118.70 118.88 2bye s GLU 59 Ca -0.11 -0.53 -0.18 0.00 -0.15 0.00 0.00 54.97 54.00 2bye s GLU 59 Cb -0.03 -2.03 0.07 0.00 -0.44 0.00 0.00 34.13 31.70 2bye s GLU 59 CO 0.03 -0.44 0.55 -1.21 0.95 0.00 0.00 175.26 175.14 2bye s GLU 60 N 1.63 3.06 -0.57 -4.83 0.41 -1.18 -2.49 118.70 114.73 2bye s GLU 60 Ca 0.00 -1.11 -0.25 0.00 -0.41 0.00 0.00 54.97 53.20 2bye s GLU 60 Cb -0.15 -4.13 0.04 0.00 -1.78 0.00 0.00 34.13 28.11 2bye s GLU 60 CO -0.08 -1.19 0.99 0.15 -0.49 0.00 0.00 175.26 174.64 2bye s LYS 61 N 2.26 3.33 0.00 1.61 3.01 -0.94 -4.14 119.74 124.87 2bye s LYS 61 Ca 0.11 -0.25 0.00 0.00 -1.01 0.00 0.00 55.97 54.82 2bye s LYS 61 Cb -0.22 -4.07 0.00 0.00 -1.01 0.00 0.00 37.83 32.53 2bye s LYS 61 CO 0.09 -1.56 0.00 0.98 0.51 0.00 0.00 175.35 175.37 2bye n TYR 62 N 7.68 0.00 0.10 3.18 9.36 -1.26 -3.98 117.16 132.23 2bye n TYR 62 Ca 0.02 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.23 2bye n TYR 62 Cb 0.48 0.00 0.26 0.00 -0.63 0.00 0.00 39.34 39.45 2bye n TYR 62 CO 0.00 0.00 0.00 0.35 0.22 0.00 0.00 176.86 177.43 2bye h PHE 63 N 0.00 0.27 -3.36 2.98 3.57 -1.86 -3.42 116.94 115.12 2bye h PHE 63 Ca 0.00 -0.06 -0.56 0.00 3.53 0.00 0.00 57.97 60.88 2bye h PHE 63 Cb 0.00 -0.07 -0.05 0.00 2.79 0.00 0.00 35.95 38.62 2bye h PHE 63 CO 0.00 0.56 0.05 0.42 -2.23 0.00 0.00 178.31 177.11 2bye s ILE 64 N -4.28 4.93 -0.15 1.41 -1.09 -1.26 -5.05 121.20 115.70 2bye s ILE 64 Ca -0.05 1.39 -0.03 0.00 -2.23 0.00 0.00 60.65 59.73 2bye s ILE 64 Cb 0.14 -4.01 -0.03 0.00 -1.58 0.00 0.00 42.46 36.99 2bye s ILE 64 CO 0.76 0.35 -0.04 -0.44 -1.23 0.00 0.00 174.94 174.33 2bye s SER 65 N 0.21 4.75 0.03 3.58 0.01 -1.26 -5.11 113.70 115.91 2bye s SER 65 Ca 0.35 -0.14 0.02 0.00 1.31 0.00 0.00 55.95 57.48 2bye s SER 65 Cb -0.18 -1.77 -0.02 0.00 0.21 0.00 0.00 66.02 64.26 2bye s SER 65 CO 0.18 0.17 -0.06 -1.59 0.41 0.00 0.00 173.24 172.35 2bye s LYS 66 N 0.36 0.45 0.99 12.44 0.00 -1.26 -5.11 119.74 127.61 2bye s LYS 66 Ca -0.05 -0.58 0.00 0.00 0.00 0.00 0.00 55.97 55.35 2bye s LYS 66 Cb -0.14 -0.24 0.00 0.00 0.00 0.00 0.00 37.83 37.45 2bye s LYS 66 CO 0.03 0.05 0.00 -0.85 0.00 0.00 0.00 175.35 174.58 2bye n GLU 67 N 1.87 -0.12 -4.38 1.78 0.28 -1.26 -4.91 120.64 113.90 2bye n GLU 67 Ca -0.20 0.08 -0.26 0.00 -0.16 0.00 0.00 57.16 56.61 2bye n GLU 67 Cb 0.56 -0.14 -0.13 0.00 1.43 0.00 0.00 31.44 33.16 2bye n GLU 67 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2bye s LYS 68 N -0.12 1.27 -0.27 3.44 -0.14 -1.26 -4.96 119.74 117.70 2bye s LYS 68 Ca 0.00 -1.21 -0.04 0.00 -1.36 0.00 0.00 55.97 53.36 2bye s LYS 68 Cb 0.00 -1.60 0.02 0.00 -1.68 0.00 0.00 37.83 34.56 2bye s LYS 68 CO 0.00 0.38 0.08 -1.71 -0.76 0.00 0.00 175.35 173.34 2bye n ASN 69 N 1.12 -5.64 -4.03 2.83 5.15 -1.26 -5.03 115.26 108.40 2bye n ASN 69 Ca -0.19 1.41 -0.31 0.00 -0.60 0.00 0.00 54.58 54.90 2bye n ASN 69 Cb 0.53 -5.33 -0.16 0.00 -0.53 0.00 0.00 39.78 34.30 2bye n ASN 69 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 2bye s GLU 70 N -1.34 2.32 -0.00 1.20 2.56 -1.26 -4.94 118.70 117.25 2bye s GLU 70 Ca -0.09 -0.81 0.00 0.00 0.00 0.00 0.00 54.97 54.07 2bye s GLU 70 Cb 0.01 -2.41 0.00 0.00 2.00 0.00 0.00 34.13 33.73 2bye s GLU 70 CO 0.79 -0.34 0.61 0.00 -0.56 0.00 0.00 175.26 175.76 2bye n ARG 72 N -0.01 0.19 -2.16 0.00 5.12 -1.26 -5.04 116.66 113.51 2bye n ARG 72 Ca 0.00 0.05 -0.34 0.00 -1.93 0.00 0.00 57.85 55.63 2bye n ARG 72 Cb 0.54 -1.10 0.01 0.00 -1.16 0.00 0.00 32.46 30.74 2bye n ARG 72 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2bye s LYS 73 N -2.16 3.33 -0.28 5.56 1.02 -1.26 -5.03 119.74 120.92 2bye s LYS 73 Ca -0.11 1.39 -0.11 0.00 0.02 0.00 0.00 55.97 57.17 2bye s LYS 73 Cb 0.03 -2.02 -0.04 0.00 -0.52 0.00 0.00 37.83 35.27 2bye s LYS 73 CO 0.18 -0.83 0.18 -0.65 -0.92 0.00 0.00 175.35 173.31 2bye s GLN 74 N -3.67 3.87 0.67 1.68 -1.52 -1.26 -5.08 119.66 114.36 2bye s GLN 74 Ca 0.68 -0.37 -0.17 0.00 -1.95 0.00 0.00 55.36 53.54 2bye s GLN 74 Cb -0.19 -3.65 -0.02 0.00 -0.22 0.00 0.00 33.01 28.93 2bye s GLN 74 CO 0.31 -0.21 0.94 -2.30 -0.25 0.00 0.00 175.29 173.78 2bye n PRO 75 N 5.05 0.66 -2.32 2.91 -0.02 -1.26 -4.83 135.00 135.18 2bye n PRO 75 Ca -0.14 0.27 -0.35 0.00 -2.02 0.00 0.00 63.50 61.26 2bye n PRO 75 Cb 0.52 -2.18 -0.04 0.00 -0.02 0.00 0.00 33.50 31.78 2bye n PRO 75 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 2bye s PHE 76 N -1.69 2.27 -0.30 6.00 0.08 -1.26 -4.93 117.98 118.16 2bye s PHE 76 Ca 0.74 -0.34 -0.26 0.00 0.12 0.00 0.00 56.93 57.19 2bye s PHE 76 Cb -0.37 -4.39 0.01 0.00 -0.57 0.00 0.00 43.02 37.69 2bye s PHE 76 CO 0.49 -1.71 0.94 -1.14 -0.10 0.00 0.00 175.22 173.70 2bye s GLN 77 N 5.67 4.05 -0.23 0.44 -0.44 -1.26 -2.22 119.66 125.67 2bye s GLN 77 Ca 0.59 0.89 0.01 0.00 -2.50 0.00 0.00 55.36 54.35 2bye s GLN 77 Cb -0.01 -3.72 0.06 0.00 -1.64 0.00 0.00 33.01 27.70 2bye s GLN 77 CO 0.01 -0.76 -0.05 0.50 0.50 0.00 0.00 175.29 175.49 2bye s ARG 78 N 3.27 1.63 0.07 1.67 6.06 -1.04 -5.04 118.95 125.58 2bye s ARG 78 Ca 0.39 -0.99 -0.15 0.00 -2.50 0.00 0.00 55.73 52.48 2bye s ARG 78 Cb -0.13 -2.59 -0.06 0.00 0.06 0.00 0.00 34.95 32.22 2bye s ARG 78 CO 0.13 -0.60 0.49 0.00 -2.50 0.00 0.00 175.30 172.82 2bye s ALA 79 N 1.39 3.64 0.04 6.12 0.00 -1.26 0.47 121.76 132.15 2bye s ALA 79 Ca -0.06 -0.14 -0.23 0.00 0.00 0.00 0.00 51.96 51.53 2bye s ALA 79 Cb -0.19 -2.48 -0.06 0.00 0.00 0.00 0.00 23.12 20.40 2bye s ALA 79 CO -0.06 0.46 0.70 0.42 0.00 0.00 0.00 175.76 177.28 2bye s ILE 80 N -1.24 4.77 0.25 0.00 -1.09 0.15 -4.91 121.20 119.13 2bye s ILE 80 Ca 0.30 1.48 0.12 0.00 -2.23 0.00 0.00 60.65 60.32 2bye s ILE 80 Cb -0.17 -4.04 -0.05 0.00 -1.58 0.00 0.00 42.46 36.63 2bye s ILE 80 CO 0.17 0.40 -0.19 -0.83 -1.23 0.00 0.00 174.94 173.26 2bye s GLY 81 N -0.23 1.82 0.46 6.18 0.00 -1.26 -4.23 107.32 110.06 2bye s GLY 81 Ca 0.35 -1.78 0.14 0.00 0.00 0.00 0.00 44.72 43.43 2bye s GLY 81 CO 0.21 -1.85 2.06 -2.55 0.00 0.00 0.00 173.10 170.97 2bye h PRO 82 N 2.51 0.28 -0.38 2.90 0.11 -1.98 -1.92 132.00 133.52 2bye h PRO 82 Ca -0.42 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.63 2bye h PRO 82 Cb 1.24 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 2bye h PRO 82 CO 0.57 0.18 0.07 0.93 -0.21 0.00 0.00 178.00 179.54 2bye h GLU 83 N 0.28 0.62 -6.21 1.05 4.39 -2.00 -3.36 114.58 109.36 2bye h GLU 83 Ca 0.15 -0.16 -0.54 0.00 0.34 0.00 0.00 59.36 59.14 2bye h GLU 83 Cb 0.24 -0.07 -0.08 0.00 -0.10 0.00 0.00 28.75 28.74 2bye h GLU 83 CO -0.03 0.68 1.21 -1.21 -1.16 0.00 0.00 179.01 178.50 2bye s GLU 84 N -5.21 3.24 0.36 2.33 2.02 -0.72 -4.97 118.70 115.75 2bye s GLU 84 Ca -0.13 -0.46 -0.25 0.00 0.02 0.00 0.00 54.97 54.14 2bye s GLU 84 Cb 0.10 -4.64 -0.09 0.00 0.10 0.00 0.00 34.13 29.60 2bye s GLU 84 CO 0.77 -2.29 1.05 -1.21 0.02 0.00 0.00 175.26 173.60 2bye s GLU 85 N 5.67 4.32 0.43 1.61 2.02 -1.26 -4.43 118.70 127.05 2bye s GLU 85 Ca 0.43 1.55 0.22 0.00 0.02 0.00 0.00 54.97 57.20 2bye s GLU 85 Cb -0.06 -2.71 0.92 0.00 0.10 0.00 0.00 34.13 32.38 2bye s GLU 85 CO 0.06 -0.01 1.83 -0.84 0.02 0.00 0.00 175.26 176.32 2bye h ILE 86 N 2.43 0.70 0.00 -1.63 3.07 -1.90 -0.83 117.51 119.35 2bye h ILE 86 Ca -0.48 -1.17 -0.05 0.00 1.55 0.00 0.00 64.86 64.72 2bye h ILE 86 Cb 1.21 1.75 -0.01 0.00 -0.27 0.00 0.00 36.82 39.50 2bye h ILE 86 CO 0.64 0.26 -0.22 0.24 -1.05 0.00 0.00 178.15 178.01 2bye h MET 87 N 0.00 0.00 -0.01 0.16 2.86 -1.84 -1.72 114.93 114.37 2bye h MET 87 Ca -0.00 0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 57.38 2bye h MET 87 Cb 0.73 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.41 2bye h MET 87 CO 0.03 0.22 -1.01 1.96 1.06 0.00 0.00 176.91 179.18 2bye h GLN 88 N 0.00 0.68 -0.15 1.72 4.20 -1.54 -2.18 115.11 117.84 2bye h GLN 88 Ca -0.00 -0.72 0.04 0.00 0.06 0.00 0.00 58.65 58.03 2bye h GLN 88 Cb 0.50 0.20 -0.04 0.00 0.30 0.00 0.00 27.48 28.43 2bye h GLN 88 CO 0.03 1.30 -0.10 0.82 -0.67 0.00 0.00 178.83 180.21 2bye h ILE 89 N 0.39 0.71 0.00 2.54 1.08 -1.08 -2.17 117.51 118.98 2bye h ILE 89 Ca -0.12 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.35 2bye h ILE 89 Cb 1.66 0.71 -0.00 0.00 -3.07 0.00 0.00 36.82 36.11 2bye h ILE 89 CO 0.20 0.00 -0.01 -0.07 -0.69 0.00 0.00 178.15 177.58 2bye h LEU 90 N -0.10 0.00 0.00 1.44 3.38 -1.35 -2.20 115.31 116.48 2bye h LEU 90 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2bye h LEU 90 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2bye h LEU 90 CO -0.21 0.01 0.00 -1.20 0.09 0.00 0.00 178.44 177.13 2bye n SER 91 N -3.10 0.00 -4.16 -0.43 7.64 -0.82 -4.73 113.62 108.02 2bye n SER 91 Ca 0.02 -0.52 -0.29 0.00 1.01 0.00 0.00 58.87 59.08 2bye n SER 91 Cb 0.40 -0.13 -0.17 0.00 -1.01 0.00 0.00 64.21 63.30 2bye n SER 91 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2bye s SER 92 N -2.27 2.62 0.00 6.43 0.01 -0.83 -5.01 113.70 114.65 2bye s SER 92 Ca 0.35 -0.46 0.00 0.00 1.31 0.00 0.00 55.95 57.15 2bye s SER 92 Cb 0.19 -1.07 0.00 0.00 0.21 0.00 0.00 66.02 65.35 2bye s SER 92 CO 0.37 0.14 0.00 0.79 0.41 0.00 0.00 173.24 174.95 2bye n TRP 93 N 3.47 0.00 -3.30 2.43 8.01 -1.26 -4.92 117.44 121.87 2bye n TRP 93 Ca -0.20 0.00 -0.08 0.00 -1.31 0.00 0.00 57.50 55.92 2bye n TRP 93 Cb 0.53 -1.45 -0.06 0.00 -2.01 0.00 0.00 31.31 28.31 2bye n TRP 93 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 177.69 176.09 2bye s PHE 94 N -1.04 -1.03 0.67 -5.99 -0.71 -1.26 -5.00 117.98 103.63 2bye s PHE 94 Ca 0.00 0.62 0.02 0.00 -1.04 0.00 0.00 56.93 56.53 2bye s PHE 94 Cb 0.00 -0.03 0.13 0.00 -1.21 0.00 0.00 43.02 41.91 2bye s PHE 94 CO 0.00 -0.89 0.92 -0.35 -1.34 0.00 0.00 175.22 173.55 2bye n PRO 95 N 5.37 0.07 0.00 1.99 -0.04 -1.26 -4.99 135.00 136.13 2bye n PRO 95 Ca -0.01 -2.69 0.15 0.00 -0.04 0.00 0.00 63.50 60.91 2bye n PRO 95 Cb 0.50 -0.55 0.71 0.00 -0.04 0.00 0.00 33.50 34.12 2bye n PRO 95 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2bye n GLU 96 N -2.65 0.47 0.00 0.54 1.02 -1.26 -4.76 120.64 114.00 2bye n GLU 96 Ca 0.16 -0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 2bye n GLU 96 Cb 0.57 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.49 2bye n GLU 96 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2bye n GLU 97 N -1.21 2.54 0.00 3.49 -0.58 -1.26 -5.11 120.64 118.50 2bye n GLU 97 Ca 0.14 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.88 2bye n GLU 97 Cb 0.25 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.12 2bye n GLU 97 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2bye n GLY 98 N 5.00 0.91 3.19 0.62 0.00 -1.26 -5.00 105.19 108.66 2bye n GLY 98 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2bye n GLY 98 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2bye s TYR 99 N 0.00 2.07 -0.81 1.61 5.04 -1.26 -4.46 117.35 119.54 2bye s TYR 99 Ca 0.00 -0.63 -0.21 0.00 -2.44 0.00 0.00 57.07 53.79 2bye s TYR 99 Cb 0.00 -1.38 0.09 0.00 0.35 0.00 0.00 41.96 41.03 2bye s TYR 99 CO 0.00 -0.21 1.08 0.00 -1.34 0.00 0.00 175.55 175.08 2bye s MET 100 N -0.01 3.36 0.00 4.97 0.23 -1.26 -4.82 119.30 121.76 2bye s MET 100 Ca -0.05 -1.23 0.00 0.00 -1.03 0.00 0.00 55.69 53.38 2bye s MET 100 Cb -0.13 -4.61 0.00 0.00 -1.53 0.00 0.00 34.83 28.55 2bye s MET 100 CO 0.03 -1.84 0.00 0.41 -2.03 0.00 0.00 175.02 171.59 2bye n GLY 101 N 5.54 4.13 3.88 3.16 0.00 -1.26 -4.74 105.19 115.90 2bye n GLY 101 Ca 0.11 -0.75 -0.36 0.00 0.00 0.00 0.00 46.02 45.02 2bye n GLY 101 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2bye s ARG 102 N -4.18 3.46 -0.13 1.61 1.70 -1.26 -4.92 118.95 115.24 2bye s ARG 102 Ca 0.00 -0.15 -0.22 0.00 -0.47 0.00 0.00 55.73 54.89 2bye s ARG 102 Cb 0.00 -3.16 -0.03 0.00 -0.57 0.00 0.00 34.95 31.18 2bye s ARG 102 CO 0.00 0.75 0.64 0.42 -1.08 0.00 0.00 175.30 176.03 2bye s ILE 103 N -1.11 5.05 -0.33 4.99 1.01 -1.25 -3.09 121.20 126.47 2bye s ILE 103 Ca 0.19 1.28 -0.02 0.00 0.00 0.00 0.00 60.65 62.09 2bye s ILE 103 Cb -0.12 -3.97 0.07 0.00 0.01 0.00 0.00 42.46 38.44 2bye s ILE 103 CO 0.08 0.20 0.05 0.68 0.00 0.00 0.00 174.94 175.96 2bye s VAL 104 N 1.24 3.06 -0.26 2.92 -7.23 0.65 -0.23 120.40 120.55 2bye s VAL 104 Ca 0.32 -1.57 -0.28 0.00 -1.81 0.00 0.00 61.98 58.64 2bye s VAL 104 Cb -0.16 -2.86 -0.04 0.00 0.56 0.00 0.00 36.38 33.87 2bye s VAL 104 CO 0.14 -0.27 2.11 -0.22 -0.31 0.00 0.00 175.10 176.55 2bye s LEU 105 N 1.22 3.45 0.44 1.32 2.96 -1.26 -1.79 118.68 125.02 2bye s LEU 105 Ca -0.01 1.70 0.08 0.00 -0.22 0.00 0.00 54.13 55.68 2bye s LEU 105 Cb -0.20 -3.48 0.00 0.00 0.50 0.00 0.00 46.19 43.01 2bye s LEU 105 CO -0.02 -1.93 0.48 -0.54 -1.32 0.00 0.00 176.35 173.03 2bye s LYS 106 N 6.23 2.59 0.36 1.98 -0.14 0.14 -4.40 119.74 126.51 2bye s LYS 106 Ca 0.95 -1.48 0.08 0.00 -1.36 0.00 0.00 55.97 54.16 2bye s LYS 106 Cb -0.30 -2.51 -0.03 0.00 -1.68 0.00 0.00 37.83 33.31 2bye s LYS 106 CO 0.34 -0.31 0.23 0.95 -0.76 0.00 0.00 175.35 175.81 2bye s THR 107 N -2.47 3.06 -0.07 2.17 -4.23 -1.26 -1.48 115.64 111.36 2bye s THR 107 Ca 0.51 -1.54 -0.00 0.00 -1.18 0.00 0.00 61.69 59.48 2bye s THR 107 Cb -0.06 -3.05 0.04 0.00 1.34 0.00 0.00 72.50 70.77 2bye s THR 107 CO 0.30 -0.13 2.07 1.67 -0.54 0.00 0.00 174.62 177.99 2bye n GLN 108 N -1.29 1.22 -1.59 3.99 7.27 0.77 -4.85 117.38 122.89 2bye n GLN 108 Ca -0.01 -0.39 -0.39 0.00 0.07 0.00 0.00 57.00 56.28 2bye n GLN 108 Cb 0.61 -1.18 0.04 0.00 2.41 0.00 0.00 30.24 32.12 2bye n GLN 108 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2bye n GLN 109 N 1.29 1.01 0.00 3.69 10.64 -1.26 -5.06 117.38 127.69 2bye n GLN 109 Ca 0.08 0.38 0.10 0.00 -1.83 0.00 0.00 57.00 55.73 2bye n GLN 109 Cb 0.53 -2.06 0.59 0.00 -0.86 0.00 0.00 30.24 28.44 2bye n GLN 109 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32